用Fock空间耦合簇法绘制了钠离子及其阳离子的势能曲线

A. Lisoń, M. Musiał, S. Kucharski
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Potential energy curves of the NaH molecule and its cation with the Fock space coupled cluster method
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An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions Self-consistent electron–nucleus cusp correction for molecular orbitals Physisorption energy of H and H2 on clean Pt(111) as a useful surface energy reference in Quantum Monte Carlo calculation Index
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